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CAS Num: 008002-72-0


CHEM : Oils, onion

MOL FOR: C6 H12 S2

MOL WT : 148.28

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 3.70

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 198.93 (Adapted Stein & Brown method)

Melting Pt (deg C): -23.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.381 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 50.7 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 53.29

log Kow used: 3.70 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 33.215 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.81E-003 atm-m3/mole (2.84E+002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.395E-003 atm-m3/mole (1.413E+002 Pa-m3/mole)

VP: 0.381 mm Hg (source: MPBPVP)

WS: 53.3 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 3.70 (KowWin est)

Log Kaw used: -0.940 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.640

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6770

Biowin2 (Non-Linear Model) : 0.7116

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8715 (weeks )

Biowin4 (Primary Survey Model) : 3.6338 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4382

Biowin6 (MITI Non-Linear Model): 0.4106

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6139

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.7050

BioHC Half-Life (days) : 5.0695

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 46.4 Pa (0.348 mm Hg)

Log Koa (Koawin est ): 4.640

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 6.47E-008

Octanol/air (Koa) model: 1.07E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.34E-006

Mackay model : 5.17E-006

Octanol/air (Koa) model: 8.57E-007

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 268.8621 E-12 cm3/molecule-sec

Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 28.643 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

3.75E-006 (Junge-Pankow, Mackay avg)

8.57E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 436.8 L/kg (MCI method)

Log Koc: 2.640 (MCI method)

Koc : 1625 L/kg (Kow method)

Log Koc: 3.211 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.769 (BCF = 5.871 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1655 days (HL = 0.6831 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.271 (BCF = 186.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.271 (BAF = 186.6)

log Kow used: 3.70 (estimated)

Volatilization from Water:

Henry LC: 0.00281 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.496 hours

Half-Life from Model Lake : 118.4 hours (4.934 days)

Removal In Wastewater Treatment:

Total removal: 59.10 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 14.13 percent

Total to Air: 44.84 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.373 0.917 1000

Water 28.2 360 1000

Soil 71 720 1000

Sediment 0.496 3.24e+003 0

Persistence Time: 229 hr

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